4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid

C7H13NO7S2 — CID 82839163

IUPAC4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C7H13NO7S2/c1-16(11,12)5-17(13,14)8-2-3-15-6(4-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyOAPDGLZALHOIRX-UHFFFAOYSA-N
MW287.32 g/mol
LogP-1.90
Rot. Bonds4

About 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid

4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid (PubChem CID 82839163) has the molecular formula C7H13NO7S2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid
PubChem CID82839163
Molecular FormulaC7H13NO7S2
Molecular Weight287.32 g/mol
Exact Mass287.01
IUPAC Name4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C7H13NO7S2/c1-16(11,12)5-17(13,14)8-2-3-15-6(4-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyOAPDGLZALHOIRX-UHFFFAOYSA-N
XLogP-1.90
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid (CID 82839163) is 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid is CS(=O)(=O)CS(=O)(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid?
The InChIKey is OAPDGLZALHOIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO7S2/c1-16(11,12)5-17(13,14)8-2-3-15-6(4-8)7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid?
4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 82839163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).